2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide

C15H20ClNO3 — CID 4512257

IUPAC2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H20ClNO3/c1-10-5-6-13(16)14(8-10)20-11(2)15(18)17-9-12-4-3-7-19-12/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyBEUDSKYAAAUSNQ-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.71
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide

2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 4512257) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID4512257
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H20ClNO3/c1-10-5-6-13(16)14(8-10)20-11(2)15(18)17-9-12-4-3-7-19-12/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyBEUDSKYAAAUSNQ-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 725864
(2S)-2-(2,3-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42561363
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17249245
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111470995
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
1-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 40647452
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 96533309
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide (CID 4512257) is 2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc(Cl)c(OC(C)C(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is BEUDSKYAAAUSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10-5-6-13(16)14(8-10)20-11(2)15(18)17-9-12-4-3-7-19-12/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 297.78 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 4512257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).